Microstructure engineering of metamagnetic Ni-Mn-based Heusler compounds by Fe-doping: A roadmap towards excellent cyclic stability combined with large elastocaloric and magnetocaloric effects

Pfeuffer, Lukas; Lemke, Jonas; Shayanfar, Navid; Riegg, Stefan; Koch, David; Taubel, Andreas; Scheibel, Franziska; Kani, Nagaarjhuna A.; Adabifiroozjaei, Esmaeil; Molina‐Luna, Leopoldo; Skokov, Konstantin; Gutfleisch, Oliver

doi:10.1016/j.actamat.2021.117390

Cited by 41 publications

(16 citation statements)

References 80 publications

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“…The nanostructure of selected samples has been characterized at room-temperature based on high-resolution transmission electron microscopy (HRTEM) images and selected area electron diffraction (SAED) patterns obtained with the 200 kV JEOL JEM 2100-F transmission electron microscope (TEM). The TEM lamellas have been prepared by a two-step ion milling process at 80 K using a Gatan 691 Precision Ion Polishing System (PIPS) following the procedure described in reference [63].…”

Section: Microstructural and Structural Characterizationmentioning

confidence: 99%

Dissipation losses limiting first-order phase transition materials in cryogenic caloric cooling: A case study on all-d-metal Ni(-Co)-Mn-Ti Heusler alloys

et al. 2023

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Section: Microstructural and Structural Characterizationmentioning

confidence: 99%

Dissipation losses limiting first-order phase transition materials in cryogenic caloric cooling: A case study on all-d-metal Ni(-Co)-Mn-Ti Heusler alloys

et al. 2023

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“…Ferromagnetic shape-memory alloys have attracted great interest due to their properties such as favorable magnetic field-induced strain (MFIS) and magnetocaloric effects (MCEs) [ 1 , 2 , 3 , 4 , 5 ]. Those properties are crucial to the utilization of Ni–Mn-based alloys in applications such as magnetic-driven actuators and solid-state energy-efficient refrigeration.…”

Section: Introductionmentioning

confidence: 99%

Unraveling the Phase Stability and Physical Property of Modulated Martensite in Ni2Mn1.5In0.5 Alloys by First-Principles Calculations

et al. 2022

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Large magnetic field-induced strains can be achieved in modulated martensite for Ni-Mn-In alloys; however, the metastability of the modulated martensite imposes serious constraints on the ability of these alloys to serve as promising sensor and actuator materials. The phase stability, magnetic properties, and electronic structure of the modulated martensite in the Ni2Mn1.5In0.5 alloy are systematically investigated. Results show that the 6M and 5M martensites are metastable and will eventually transform to the NM martensite with the lowest total energy in the Ni2Mn1.5In0.5 alloy. The physical properties of the incommensurate 7M modulated martensite (7M–IC) and nanotwinned 7M martensite (7M−(52¯)2) are also calculated. The austenite (A) and 7M−(52¯)2 phases are ferromagnetic (FM), whereas the 5M, 6M, and NM martensites are ferrimagnetic (FIM), and the FM coexists with the FIM state in the 7M–IC martensite. The calculated electronic structure demonstrates that the splitting of Jahn–Teller effect and the strong Ni–Mn bonding interaction lead to the enhancement of structural stability.

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“…In terms of magnetocaloric applications, magnetic materials inherently have magnetocaloric effects due to the interdependence of thermal and magnetic properties. Since the discovery of Ni-Mn-based Heusler compounds with giant magnetocaloric effects, magnetic Heusler compounds have been regarded as candidates in magnetocaloric materials [22]. Finally, for energy applications, most thermoelectric materials are semiconductors with small energy gap.…”

Section: Introductionmentioning

confidence: 99%

A first-principles study on the effect of Cr, Mn, and Co substitution on Fe-based normal- and inverse-Heusler compounds: Fe3−xYxZ (x=0, 1, 2, 3; Y= Cr, Mn, Co; Z=Al, Ga, Si)

2022

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First-principles calculation has become one of the most reliable approaches in predicting structural, electronic, and magnetic properties for material applications. Alloys in Heusler structures have also attracted much attention recently since they can be easily synthesized and provide interesting properties for future spintronic applications. In this work, we investigate a series of Fe-based Heusler compounds Fe3−xYxZ (x = 0, 1, 2, 3; Y= Cr, Mn, Co; Z= Al, Ga, Si) with L21- and XA-type structures using first-principles calculations based on density functional theory. According to formation energy calculations and mechanical property analysis, most of the studied Heusler compounds are thermodynamically stable and could be synthesized experimentally. The Co substitution leads Fe3−xCoxZ to a ferromagnetic ground state like Fe3Z with a strong magnetization ranging from 4 to 6 μB/f. u. While replacing Fe with Cr or Mn, the exchange coupling between Cr (Mn) and its neighboring atoms generally tend to be anti-parallel. Among the antiferromagnetic compounds, Mn3Al and Mn3Ga are antiferromagnetic half metal while Mn3Si is ferrimagnetic half metal. These rarely found type of half metals with low magnetic moment and high spin polarization at the Fermi level are important for low energy consumption spintronic applications. The estimated Curie temperatures for Mn3Al, and Mn3Si and Co2FeSi (XA) are in good agreement with previously theoretical values, while for Fe3Al and Fe3Si, they are in good agreement with previous experimental results. The good consistency in Curie temperature demonstrates high reliability of our predictions based on first-principles calculations. As for the topological property aspect, we predict Fe2CrAl and Fe2MnAl as the 3-dimensional Weyl semimetal. Furthermore, Fe2CrSi is predicted to be the magnetic nodal-line semimetal. Interestingly, our mechanical property analysis demonstrates that Co3Si and Fe2CoSi (L21) exhibit ultraelastic metal behavior, which is of high potential in advanced mechanical industry. This work suggests that Heusler compounds are excellent candidates for future spintronics as well as for high-performance ultraelastic metals.

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Microstructure engineering of metamagnetic Ni-Mn-based Heusler compounds by Fe-doping: A roadmap towards excellent cyclic stability combined with large elastocaloric and magnetocaloric effects

Cited by 41 publications

References 80 publications

Dissipation losses limiting first-order phase transition materials in cryogenic caloric cooling: A case study on all-d-metal Ni(-Co)-Mn-Ti Heusler alloys

Dissipation losses limiting first-order phase transition materials in cryogenic caloric cooling: A case study on all-d-metal Ni(-Co)-Mn-Ti Heusler alloys

Unraveling the Phase Stability and Physical Property of Modulated Martensite in Ni2Mn1.5In0.5 Alloys by First-Principles Calculations

A first-principles study on the effect of Cr, Mn, and Co substitution on Fe-based normal- and inverse-Heusler compounds: Fe3−xYxZ (x=0, 1, 2, 3; Y= Cr, Mn, Co; Z=Al, Ga, Si)

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